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Items: 1 to 20 of 151

1.

Comment on "Automatic estimation of pressure-dependent rate coefficients" (J. W. Allen, C. F. Goldsmith, and W. H. Green, Phys. Chem. Chem. Phys., 2011, 14, 1131-1155).

Miller JA, Klippenstein SJ.

Phys Chem Chem Phys. 2012 Jun 21;14(23):8431-3; discussion 8434. doi: 10.1039/c2cp40303j. Epub 2012 May 10.

PMID:
22576047
2.

Determining phenomenological rate coefficients from a time-dependent, multiple-well master equation: "species reduction" at high temperatures.

Miller JA, Klippenstein SJ.

Phys Chem Chem Phys. 2013 Apr 7;15(13):4744-53. doi: 10.1039/c3cp44337j.

PMID:
23435763
3.

Combined experimental and master equation investigation of the multiwell reaction H + SO2.

Blitz MA, Hughes KJ, Pilling MJ, Robertson SH.

J Phys Chem A. 2006 Mar 9;110(9):2996-3009.

PMID:
16509621
4.

Clusters of classical water models.

Kiss PT, Baranyai A.

J Chem Phys. 2009 Nov 28;131(20):204310. doi: 10.1063/1.3266838.

PMID:
19947683
5.

Master equation methods for multiple well systems: application to the 1-,2-pentyl system.

Robertson SH, Pilling MJ, Jitariu LC, Hillier IH.

Phys Chem Chem Phys. 2007 Aug 21;9(31):4085-97. Epub 2007 Jun 25.

PMID:
17687460
6.

Comment on "Study of dielectric relaxations of anhydrous trehalose and maltose glasses" [J. Chem. Phys. 134, 014508 (2011)].

Kaminski K, Wlodarczyk P, Paluch M.

J Chem Phys. 2011 Oct 28;135(16):167102. doi: 10.1063/1.3647898.

PMID:
22047271
7.

Experimental study of the rate of OH + HO2 --> H2O + O2 at high temperatures using the reverse reaction.

Hong Z, Vasu SS, Davidson DF, Hanson RK.

J Phys Chem A. 2010 May 6;114(17):5520-5. doi: 10.1021/jp100739t.

PMID:
20392098
8.

Rate constants and H atom branching ratios of the gas-phase reactions of methylidyne CH(X2Pi) radical with a series of alkanes.

Loison JC, Bergeat A, Caralp F, Hannachi Y.

J Phys Chem A. 2006 Dec 21;110(50):13500-6.

PMID:
17165876
9.

Reaction rate theory: what it was, where is it today, and where is it going?

Pollak E, Talkner P.

Chaos. 2005 Jun;15(2):26116.

PMID:
16035918
10.

Quantum mechanical capture/phase space theory calculation of the rate constants for the complex-forming CH + H(2) reaction.

Saracibar A, Goldfield EM, Gray SK.

J Phys Chem A. 2008 Dec 11;112(49):12588-96. doi: 10.1021/jp805875p.

PMID:
19007197
12.

Melting temperature of ice Ih calculated from coexisting solid-liquid phases.

Wang J, Yoo S, Bai J, Morris JR, Zeng XC.

J Chem Phys. 2005 Jul 15;123(3):36101.

PMID:
16080767
13.

Thermal decomposition of HN(3).

Knyazev VD, Korobeinichev OP.

J Phys Chem A. 2010 Jan 21;114(2):839-46. doi: 10.1021/jp909211x.

PMID:
19916540
14.

The addition of hydrogen atoms to diacetylene and the heats of formation of i-C4H3 and n-C4H3.

Klippenstein SJ, Miller JA.

J Phys Chem A. 2005 May 19;109(19):4285-95.

PMID:
16833758
15.

A molecular theory of cartilage viscoelasticity.

Kovach IS.

Biophys Chem. 1996 Mar 7;59(1-2):61-73. Review.

PMID:
8867327
16.

Reaction of OH + NO2: high pressure experiments and falloff analysis.

Hippler H, Krasteva N, Nasterlack S, Striebel F.

J Phys Chem A. 2006 Jun 1;110(21):6781-8.

PMID:
16722694
17.

State-to-state rotational relaxation rate constants for CO+Ne from IR-IR double-resonance experiments: comparing theory to experiment.

Hostutler DA, Smith TC, Hager GD, McBane GC, Heaven MC.

J Chem Phys. 2004 Apr 22;120(16):7483-9.

PMID:
15267660
18.
19.

Evaluation of data for atmospheric models: master equation/RRKM calculations on the combination reaction, BrO + NO2 --> BrONO2, a conundrum.

Walsh R, Golden DM.

J Phys Chem A. 2008 May 1;112(17):3891-7. doi: 10.1021/jp7116642. Epub 2008 Mar 19.

PMID:
18348554
20.
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